3BAL
Crystal Structure of an Acetylacetone Dioxygenase from Acinetobacter johnsonii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-06-24 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8033 |
Spacegroup name | P 1 |
Unit cell lengths | 43.200, 57.200, 62.930 |
Unit cell angles | 69.85, 74.32, 69.71 |
Refinement procedure
Resolution | 25.000 - 1.950 |
Rwork | 0.183 |
R-free | 0.22800 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.336 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE (1.18) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.036 | 0.113 |
Number of reflections | 37241 | |
<I/σ(I)> | 16.1 | |
Completeness [%] | 97.8 | 88.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1M Tris HCl, 40% PEG 3350, 0.2M Sodium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1M Tris HCl, 40% PEG 3350, 0.2M Sodium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |